Crystallography Open Database

Information card for entry 7042864

Preview

Coordinates	7042864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Au F6 Fe P2 S3
Calculated formula	C32 H38 Au F6 Fe P2 S3
SMILES	[Fe]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)SCC[S]5CC[S]6[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes
Authors of publication	Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu
Journal of publication	Dalton Trans.
Year of publication	2017
a	12.9715 ± 0.0003 Å
b	13.7519 ± 0.0004 Å
c	20.3281 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3626.18 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195903 (current)	2017-05-03	cif/ Adding structures of 7042861, 7042862, 7042863, 7042864, 7042865, 7042866 via cif-deposit CGI script.	7042864.cif